3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide

C12H16N4O3S2 — CID 114614582

IUPAC3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCCC(=O)NC2CC2)cn1
InChIInChI=1S/C12H16N4O3S2/c13-12(20)10-4-3-9(7-14-10)21(18,19)15-6-5-11(17)16-8-1-2-8/h3-4,7-8,15H,1-2,5-6H2,(H2,13,20)(H,16,17)
InChIKeyOOBJXYFBVMHGJB-UHFFFAOYSA-N
MW328.42 g/mol
LogP-0.34
Rot. Bonds7

About 3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide

3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide (PubChem CID 114614582) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
PubChem CID114614582
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC Name3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCCC(=O)NC2CC2)cn1
InChIInChI=1S/C12H16N4O3S2/c13-12(20)10-4-3-9(7-14-10)21(18,19)15-6-5-11(17)16-8-1-2-8/h3-4,7-8,15H,1-2,5-6H2,(H2,13,20)(H,16,17)
InChIKeyOOBJXYFBVMHGJB-UHFFFAOYSA-N
XLogP-0.34
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 114614674
2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 114614334
4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
CID 115488712
5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614203
5-(3,3,3-trifluoropropylsulfamoyl)pyridine-2-carbothioamide
CID 114614446
3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide
CID 106271482
5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
CID 114613962
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 114613175
5-[(4-methylcyclohexyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614449
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
2-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 114614169
5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 107418739

Frequently Asked Questions

What is the IUPAC name of 3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide (CID 114614582) is 3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide is NC(=S)c1ccc(S(=O)(=O)NCCC(=O)NC2CC2)cn1.
What is the InChIKey of 3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide?
The InChIKey is OOBJXYFBVMHGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c13-12(20)10-4-3-9(7-14-10)21(18,19)15-6-5-11(17)16-8-1-2-8/h3-4,7-8,15H,1-2,5-6H2,(H2,13,20)(H,16,17).
What are the key properties of 3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide?
3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide has a molecular weight of 328.42 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 114614582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).